CID 20066

2,8-decadiyne

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

CC#CCCCCC#CC

InChI

InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h7-10H2,1-2H3

InChIKey

KORPQWPYEOSKGV-UHFFFAOYSA-N

Compound name

deca-2,8-diyne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 241
Patents: 134.10954 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	135.11682	154.0
[M+Na]+	157.09876	162.4
[M+NH4]+	152.14336	155.0
[M+K]+	173.07270	151.7
[M-H]-	133.10226	142.4
[M+Na-2H]-	155.08421	152.3
[M]+	134.10899	150.7
[M]-	134.11009	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe